REVIEW: Computer Design of Low-Molecular-Weight Inhibitors of Coagulation Factors

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A. S. Kabankin^1,a, E. I. Sinauridze^1,2, E. N. Lipets^1,2, and F. I. Ataullakhanov^1,2,3,4,b*

¹Center for Theoretical Problems of Physicochemical Pharmacology, Russian Academy of Sciences, 119991 Moscow, Russia

²Dmitry Rogachev National Medical Research Center of Pediatric Hematology, Oncology and Immunology, 117997 Moscow, Russia

³Lomonosov Moscow State University, Faculty of Physics, 119991 Moscow, Russia

⁴Moscow Institute of Physics and Technology, 141701 Dolgoprudny, Moscow Region, Russia

^* To whom correspondence should be addressed.

Received September 5, 2018; Revised October 19, 2018; Accepted October 19, 2018

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The review discusses main approaches to searching for new low-molecular-weight inhibitors of coagulation factors IIa, Xa, IXa, and XIa and the results of such studies conducted from 2015 to 2018. For each of these factors, several inhibitors with IC₅₀ < 10 nM have been found, some of which are now tested in clinical trials. However, none of the identified inhibitors meets the requirements for an “ideal” anticoagulant, so further studies are required.

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KEY WORDS: anticoagulant, low-molecular-weight inhibitor, coagulation factor, computer molecular design, molecular docking

DOI: 10.1134/S0006297919020032

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